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2-(2-Cyanophenylthio)benzoic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

2-(2-Cyanophenylthio)benzoic acid
SpectraBase Compound ID IxQ6dznEt8F
InChI InChI=1S/C14H9NO2S/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17)
InChIKey FMGHXZOIAXNGOL-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C14H9NO2S
Exact Mass 255.0354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BvTGulR3yQY
Name 2-(2-Cyanophenylthio)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 346306
CAS Registry Number 163725-12-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2S
InChI 1S/C14H9NO2S/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17)
InChIKey FMGHXZOIAXNGOL-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007152